From 525620d1d98aed8f7715195388ec8311f46ac84f Mon Sep 17 00:00:00 2001 From: Stig Rune Sellevag Date: Tue, 8 Aug 2023 13:17:28 +0200 Subject: [PATCH] update to latest scilib --- src/diim.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/diim.cpp b/src/diim.cpp index 8ba7bd7..567ad60 100644 --- a/src/diim.cpp +++ b/src/diim.cpp @@ -313,10 +313,10 @@ void Iim::Diim::check_stability() Sci::Linalg::eig(astar_tmp, evec, eval); - double eval_largest = std::abs(eval(0)); // magnitude is used for comparison - for (auto& ei : eval) { - if (std::abs(ei) > eval_largest) { - eval_largest = std::abs(ei); + double eval_largest = std::abs(eval[0]); // magnitude is used for comparison + for (Sci::index i = 0; i < eval.extent(0); ++i) { + if (std::abs(eval[i]) > eval_largest) { + eval_largest = std::abs(eval[i]); } } if (std::abs(eval_largest) >= 1.0) {